Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56915 | Target Info | |||
| Target Name | Human immunodeficiency virus Protease (HIV PR) | ||||
| Synonyms | HIV Retropepsin; HIV PR | ||||
| Target Type | Successful Target | ||||
| Gene Name | HIV PR | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron | Ligand Info | |||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6C8X Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [1] |
| PDB Sequence |
PQITLWKRPL
10 VTIKIGGQLK20 EALLDTGADD30 TVIEEMSLPG40 RWKPKMIGGI50 GGFIKVRQYD 60 QIIIEIAGHK70 AIGTVLVGPT80 PVNIIGRNLL90 TQIGATLNF
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| PDB ID: 6C8Y D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [1] |
| PDB Sequence |
PQITLWKRPL
10 VTIKIGGQLK20 EALLDTGADN30 TVIEEMSLPG40 RWKPKMIGGI50 GGFIKVRQYD 60 QIIIEIAGHK70 AIGTVLVGPT80 PVNIIGRNLL90 TQIGATLNF
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J Am Chem Soc. 2018 Oct 31;140(43):14015-14018. | ||||
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